5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine

C10H11BrN6 — CID 53467182

IUPAC5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2cccn2)nc(NC2CC2)c1Br
InChIInChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
InChIKeyDNWLPKMXZITGRO-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.58
Rot. Bonds3

About 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine

5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (PubChem CID 53467182) has the molecular formula C10H11BrN6 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
PubChem CID53467182
Molecular FormulaC10H11BrN6
Molecular Weight295.14 g/mol
Exact Mass294.02
IUPAC Name5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2cccn2)nc(NC2CC2)c1Br
InChIInChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
InChIKeyDNWLPKMXZITGRO-UHFFFAOYSA-N
XLogP1.58
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (CID 53467182) is 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is Nc1nc(-n2cccn2)nc(NC2CC2)c1Br.
What is the InChIKey of 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The InChIKey is DNWLPKMXZITGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16).
What are the key properties of 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine has a molecular weight of 295.14 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 53467182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).